From 23ca0099f7ab655f7ce30295d890f3cc214a2c7b Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 4 Aug 2017 14:47:32 -0400
Subject: [PATCH] more updates to kim/Install.py to restore missing
functionality and align with other scripts
- build into local directory to replace existing installation is now default
- add wrapper function that calls curl in case python package has not ssl support
- have to specify -n flag to avoid wiping out the existing installation
- can specify -p to point to an existing kim-api installation (implies -n)
---
lib/kim/.gitignore | 1 +
lib/kim/Install.py | 102 ++++++++++++++++++++++++++++++---------------
2 files changed, 70 insertions(+), 33 deletions(-)
diff --git a/lib/kim/.gitignore b/lib/kim/.gitignore
index 3be8ecbdd6..c1f57fe64c 100644
--- a/lib/kim/.gitignore
+++ b/lib/kim/.gitignore
@@ -1,2 +1,3 @@
/Makefile.KIM_DIR
/Makefile.KIM_Config
+/installed-kim-api-*
diff --git a/lib/kim/Install.py b/lib/kim/Install.py
index 1d022a5875..315bb4e11c 100644
--- a/lib/kim/Install.py
+++ b/lib/kim/Install.py
@@ -4,18 +4,30 @@
# used to automate the steps described in the README file in this dir
from __future__ import print_function
import sys,os,re,subprocess
-try: from urllib.request import urlretrieve as geturl
-except: from urllib import urlretrieve as geturl
+
+# transparently use either urllib or an external tool
+try:
+ import ssl
+ try: from urllib.request import urlretrieve as geturl
+ except: from urllib import urlretrieve as geturl
+except:
+ def geturl(url,fname):
+ cmd = "curl -o %s %s" % (fname,url)
+ txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
+ return txt
help = """
-Syntax from src dir: make lib-kim args="-v version -b -a kim-name"
-Syntax from lib dir: python Install.py -v version -b -a kim-name
+Syntax from src dir: make lib-kim args="-v version -a kim-name"
+Syntax from lib dir: python Install.py -v version -a kim-name
specify one or more options, order does not matter
-v = version of KIM API library to use
default = kim-api-v1.8.2 (current as of June 2017)
- -b = download and build KIM API library with example Models
+ -b = download and build base KIM API library with example Models (default)
+ this will delete any previous installation in the current folder
+ -n = do NOT download and build base KIM API library. Use an existing installation
+ -p = specify location of KIM API installation (implies -n)
-a = add single KIM model or model driver with kim-name
to existing KIM API lib (see example below).
If kim-name = everything, then rebuild KIM API library with
@@ -24,10 +36,10 @@ specify one or more options, order does not matter
Examples:
-make lib-kim args="-b" # install KIM API lib with only example models
-make lib-kim args="-b -a Glue_Ercolessi_Adams_Al__MO_324507536345_001" # Ditto plus one model
-make lib-kim args="-b -a everything" # install KIM API lib with all models
-make lib-kim args="-a EAM_Dynamo_Ackland_W__MO_141627196590_002" # add one model or model driver
+make lib-kim # install KIM API lib with only example models
+make lib-kim args="-a Glue_Ercolessi_Adams_Al__MO_324507536345_001" # Ditto plus one model
+make lib-kim args="-a everything" # install KIM API lib with all models
+make lib-kim args="-n -a EAM_Dynamo_Ackland_W__MO_141627196590_002" # only add one model or model driver
See the list of KIM model drivers here:
https://openkim.org/kim-items/model-drivers/alphabetical
@@ -44,19 +56,25 @@ def error():
print(help)
sys.exit()
+# expand to full path name
+# process leading '~' or relative path
+
+def fullpath(path):
+ return os.path.abspath(os.path.expanduser(path))
+
# parse args
args = sys.argv[1:]
nargs = len(args)
-if nargs == 0: error()
thisdir = os.environ['PWD']
version = "kim-api-v1.8.2"
-buildflag = False
+buildflag = True
everythingflag = False
addflag = False
verboseflag = False
+pathflag = False
iarg = 0
while iarg < len(args):
@@ -67,6 +85,15 @@ while iarg < len(args):
elif args[iarg] == "-b":
buildflag = True
iarg += 1
+ elif args[iarg] == "-n":
+ buildflag = False
+ iarg += 1
+ elif args[iarg] == "-p":
+ if iarg+2 > len(args): error()
+ kimdir = fullpath(args[iarg+1])
+ pathflag = True
+ buildflag = False
+ iarg += 2
elif args[iarg] == "-a":
addflag = True
if iarg+2 > len(args): error()
@@ -84,34 +111,49 @@ while iarg < len(args):
thisdir = os.path.abspath(thisdir)
url = "https://s3.openkim.org/kim-api/%s.tgz" % version
-# download KIM tarball, unpack, build KIM
-# either in lib/kim or user-requested location
+# set KIM API directory
-if buildflag:
+if pathflag:
+ if not os.path.isdir(kimdir):
+ print("\nkim-api is not installed at %s" % kimdir)
+ error()
- # set install directory
+ # configure LAMMPS to use existing kim-api installation
+ with open("%s/Makefile.KIM_DIR" % thisdir, 'w') as mkfile:
+ mkfile.write("KIM_INSTALL_DIR=%s\n\n" % kimdir)
+ mkfile.write(".DUMMY: print_dir\n\n")
+ mkfile.write("print_dir:\n")
+ mkfile.write(" @printf $(KIM_INSTALL_DIR)\n")
+
+ with open("%s/Makefile.KIM_Config" % thisdir, 'w') as cfgfile:
+ cfgfile.write("include %s/lib/kim-api/Makefile.KIM_Config" % kimdir)
- dir = os.path.join(os.path.abspath(thisdir), "installed-" + version)
+ print("Created %s/Makefile.KIM_DIR\n using %s" % (thisdir,kimdir))
+else:
+ kimdir = os.path.join(os.path.abspath(thisdir), "installed-" + version)
+
+# download KIM tarball, unpack, build KIM
+if buildflag:
# check to see if an installed kim-api already exists and wipe it out.
- if os.path.isdir(dir):
- print("kim-api is already installed at %s.\nRemoving it for re-install" % dir)
- cmd = "rm -rf %s" % dir
+ if os.path.isdir(kimdir):
+ print("kim-api is already installed at %s.\nRemoving it for re-install" % kimdir)
+ cmd = "rm -rf %s" % kimdir
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
# configure LAMMPS to use kim-api to be installed
with open("%s/Makefile.KIM_DIR" % thisdir, 'w') as mkfile:
- mkfile.write("KIM_INSTALL_DIR=%s\n\n" % dir)
+ mkfile.write("KIM_INSTALL_DIR=%s\n\n" % kimdir)
mkfile.write(".DUMMY: print_dir\n\n")
mkfile.write("print_dir:\n")
mkfile.write(" @printf $(KIM_INSTALL_DIR)\n")
with open("%s/Makefile.KIM_Config" % thisdir, 'w') as cfgfile:
- cfgfile.write("include %s/lib/kim-api/Makefile.KIM_Config" % dir)
+ cfgfile.write("include %s/lib/kim-api/Makefile.KIM_Config" % kimdir)
- print("Created %s/Makefile.KIM_DIR : using %s" % (thisdir,dir))
+ print("Created %s/Makefile.KIM_DIR\n using %s" % (thisdir,kimdir))
# download entire kim-api tarball
@@ -124,7 +166,7 @@ if buildflag:
# configure kim-api
print("Configuring kim-api ...")
- cmd = "cd %s/%s; ./configure --prefix='%s'" % (thisdir,version,dir)
+ cmd = "cd %s/%s; ./configure --prefix='%s'" % (thisdir,version,kimdir)
subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
# build kim-api
@@ -166,17 +208,11 @@ if buildflag:
if addflag:
- # get location of installed kim-api
-
- if not os.path.isfile("%s/Makefile.KIM_DIR" % thisdir):
- print("kim-api is not installed")
+ if not os.path.isdir(kimdir):
+ print("\nkim-api is not installed")
error()
- else:
- cmd = "cd %s; make -f Makefile.KIM_DIR print_dir" % thisdir
- dir = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)[1]
# download single model
- # try first via urllib
print("Downloading tarball for %s..." % addmodelname)
url = "https://openkim.org/download/%s.tgz" % addmodelname
@@ -206,7 +242,7 @@ if addflag:
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
adddrivername = txt.decode("UTF-8").strip()
print("First installing model driver: %s..." % adddrivername)
- cmd = "cd %s; python Install.py -a %s" % (thisdir,adddrivername)
+ cmd = "cd %s; python Install.py -n -a %s" % (thisdir,adddrivername)
try:
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
except subprocess.CalledProcessError as e:
@@ -218,7 +254,7 @@ if addflag:
# now install the model that needed the driver
print("Now installing model : %s" % addmodelname)
- cmd = "cd %s; python Install.py -a %s" % (thisdir,addmodelname)
+ cmd = "cd %s; python Install.py -n -a %s" % (thisdir,addmodelname)
try:
txt = subprocess.check_output(cmd,stderr=subprocess.STDOUT,shell=True)
except subprocess.CalledProcessError as e:
--
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